Dominik Kriegner

thanks for the feedback. I will look into it. As a quick fix you could add the following patch. Add `lmfit_kws.update(kwargs)` before the `super().fit`-call ``` # perform fitting + lmfit_kws.update(kwargs)...

thanks for the report. I can, however, not reproduce this problem: ``` import xrayutilities as xu import numpy tt = numpy.arange(5, 80, 0.01) m = xu.materials.Crystal.fromCIF("qmof-4148b62.txt") p = xu.simpack.PowderModel(xu.simpack.Powder(m, 1))...

Ok, with your code snippet I can reproduce the problem. I need to investigate. What I observed so far: I get the error with the structure from your cif file....

@mendenmh Is the fix implememented in #181 worth merging? Or do you think you will have a better fix soon? I am asking because I might do a release again...

Unfortunately the answer is no. The current examples cover only parts of what you want to achieve. In particular there are some examples which cover how to set up the...

There is not much regarding the orientation matrix. The biggest problem I see here is that you will have to identify and index your peaks. There is nothing in xrayutilities...

Thanks for your report. I can not reproduce this since in the xrayutilities code there is no direct import of `numpy.core.multiarray` which seems to cause your issue. Also Python 3.8...

As you describe it, this sounds to me is unlikely to be causes by a code problem inside xrayutilities. It could potentially be related to the binary package on PyPI....

thanks for reporting this problem. I am however not sure it's a fully valid issue. I believe the overhead of the multiprocessing is eating up any gain in this case....

Hi, at the moment these possibilities are indeed a bit limited. There exist only [`PseudomorphicStack001`](https://xrayutilities.sourceforge.io/xrayutilities.simpack.html#xrayutilities.simpack.smaterials.PseudomorphicStack001) and [`PseudomorphicStack111`](https://xrayutilities.sourceforge.io/xrayutilities.simpack.html#xrayutilities.simpack.smaterials.PseudomorphicStack111) for 001 and 111 oriented initially cubic materials. But the general question is...